Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | HPGD | P15428 | 5/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | MTHFD1 | P11586 | 1/20 | 0.41 |
| ▸ | MTHFD2 | P13995 | 1/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.41 |
| ▸ | GRM5 | P41594 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | PTGDR2 | Q9Y5Y4 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8439848 | 0.96 | ALDH1A1 (0.43) | ALDH1A1HPGDMEN1KMT2ATP53 | |
| Hydrochloric Acid SCHEMBL8804440 | 0.95 | ALDH1A1 (0.43) | ALDH1A1HPGDMEN1KMT2ATP53 | |
| Hydrochloric Acid SCHEMBL8439685 | 0.95 | ALDH1A1 (0.43) | ALDH1A1HPGDMEN1KMT2ATP53 | |
| SCHEMBL8439218 | 0.94 | ALDH1A1 (0.42) | ALDH1A1HPGDMEN1KMT2ATP53 | |
| SCHEMBL8437169 | 0.93 | MEN1 (0.53) | ALDH1A1HPGDMEN1KMT2ATP53 | |
| Hydrochloric Acid SCHEMBL8438192 | 0.93 | ALDH1A1 (0.41) | ALDH1A1HPGDMEN1KMT2ATP53 | |
| Hydrochloric Acid SCHEMBL8437125 | 0.92 | MEN1 (0.52) | ALDH1A1HPGDMEN1KMT2ATP53 | |
| SCHEMBL8436047 | 0.92 | HPGD (0.42) | ALDH1A1HPGDMEN1KMT2ATP53 | |
| SCHEMBL8435271 | 0.92 | HPGD (0.46) | ALDH1A1HPGDMEN1KMT2ATP53 | |
| Hydrochloric Acid SCHEMBL8439761 | 0.91 | HPGD (0.42) | ALDH1A1HPGDMEN1KMT2ATP53 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1160403-A | Substd. heterobicyclic alkyl amines and their use as squalene oxide cyclase inhibitors | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1997-09-24 | — | — | CN | disclosed |